Fluorine in PDB 6bqo: Structure of A Dual Topology Fluoride Channel with Monobody S8

The structure of Structure of A Dual Topology Fluoride Channel with Monobody S8, PDB code: 6bqo was solved by R.B.Stockbridge, S.Newstead, B.C.Mcilwain, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.97 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.920, 39.850, 109.870, 90.00, 107.39, 90.00
R / Rfree (%)	22 / 27.5

The structure of Structure of A Dual Topology Fluoride Channel with Monobody S8 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Fluorine atom in the Structure of A Dual Topology Fluoride Channel with Monobody S8 (pdb code 6bqo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of A Dual Topology Fluoride Channel with Monobody S8, PDB code: 6bqo:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of A Dual Topology Fluoride Channel with Monobody S8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of A Dual Topology Fluoride Channel with Monobody S8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:66.1 occ:1.00 OG A:SER108 2.7 52.2 1.0 ND2 A:ASN43 2.8 51.8 1.0 OH A:TYR104 2.8 46.6 1.0 CZ A:TYR104 3.3 49.6 1.0 CD1 A:PHE85 3.3 44.3 1.0 CB A:SER108 3.6 55.6 1.0 CE1 A:TYR104 3.7 47.0 1.0 CA A:LEU40 3.9 56.7 1.0 CD1 A:LEU40 4.0 55.3 1.0 CG A:ASN43 4.0 47.2 1.0 N A:LEU40 4.1 61.8 1.0 CE1 A:PHE85 4.1 55.5 1.0 CE2 A:TYR104 4.2 52.8 1.0 CG A:PHE85 4.2 51.3 1.0 CB A:PHE85 4.2 44.6 1.0 O A:THR39 4.3 51.7 1.0 C A:THR39 4.3 64.5 1.0 OG1 A:THR39 4.3 65.2 1.0 CB A:LEU40 4.3 50.5 1.0 CB A:ASN43 4.3 51.5 1.0 CA A:SER108 4.6 54.1 1.0 CD1 A:TYR104 4.7 46.3 1.0 CB A:THR39 4.8 58.6 1.0 CG A:LEU40 4.8 56.2 1.0 CA A:PHE85 4.9 50.8 1.0

Fluorine binding site 2 out of 2 in the Structure of A Dual Topology Fluoride Channel with Monobody S8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of A Dual Topology Fluoride Channel with Monobody S8 within 5.0Å range: probe atom residue distance (Å) B Occ B:F203 b:60.3 occ:1.00 O B:ASN43 2.6 67.7 1.0 OG B:SER112 2.7 66.3 1.0 N B:GLY47 3.1 58.5 1.0 CA B:GLY47 3.2 55.8 1.0 C B:ASN43 3.4 61.5 1.0 N A:SER83 3.4 52.6 1.0 C A:PHE82 3.5 54.9 1.0 CB A:PHE82 3.5 48.0 1.0 CA A:SER83 3.6 54.9 1.0 O A:PHE82 3.7 52.1 1.0 CB B:SER112 3.7 54.7 1.0 CG2 B:THR80 3.8 56.0 1.0 CA B:ASN43 3.8 55.8 1.0 CD1 A:PHE82 3.9 56.1 1.0 CB B:ASN43 4.0 52.4 1.0 C B:GLY46 4.1 55.0 1.0 OG A:SER86 4.1 47.2 1.0 CG A:PHE82 4.1 53.9 1.0 CA A:PHE82 4.2 55.6 1.0 CB A:SER83 4.3 54.0 1.0 CB B:THR80 4.3 54.8 1.0 N B:LEU44 4.6 61.0 1.0 CA B:SER112 4.6 58.9 1.0 C B:GLY47 4.7 54.6 1.0 CA B:GLY46 4.7 60.0 1.0 O B:GLY46 4.8 62.1 1.0 CG B:ASN43 4.8 57.0 1.0 C A:SER83 4.9 50.3 1.0 CA B:LEU44 5.0 59.3 1.0

B.C.Mcilwain, S.Newstead, R.B.Stockbridge. Cork-in-Bottle Occlusion of Fluoride Ion Channels By Crystallization Chaperones. Structure V. 26 635 2018.
ISSN: ISSN 1878-4186
PubMed: 29526432
DOI: 10.1016/J.STR.2018.02.004